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Ethyl 4-({4-[(2,4-dichlorophenyl)methyl]piperazinyl}carbonylamino)benzoate
TL;DR: Ethyl 4-({4-[(2,4-dichlorophenyl)methyl]piperazinyl}carbonylamino)benzoate (CAS 701952-62-7) is a chemical compound with molecular formula C21H23Cl2N3O3 and molecular weight 435.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-[(2,4-dichlorophenyl)methyl]piperazine-1-carbonyl]amino]benzoate
Also Known As: Ethyl 4-[[4-[(2,4-dichlorophenyl)methyl]piperazine-1-carbonyl]amino]benzoate, ethyl 4-(4-(2,4-dichlorobenzyl)piperazine-1-carboxamido)benzoate, ethyl 4-({[4-(2,4-dichlorobenzyl)piperazin-1-yl]carbonyl}amino)benzoate, ETHYL 4-({[4-(2,4-DICHLOROBENZYL)PIPERAZINO]CARBONYL}AMINO)BENZOATE, ethyl 4-({4-[(2,4-dichlorophenyl)methyl]piperazinyl}carbonylamino)benzoate
| Molecular Formula | C21H23Cl2N3O3 |
|---|---|
| Molecular Weight | 435.11 g/mol |
| LogP | 4.5198 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.11163 |
| Heavy Atoms | 29 |
| Complexity | 865.9751 |
Chemical Identifiers
| CAS Number | 701952-62-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)CC3=C(C=C(C=C3)Cl)Cl |
Product Overview
Ethyl 4-({4-[(2,4-dichlorophenyl)methyl]piperazinyl}carbonylamino)benzoate (CAS 701952-62-7), with molecular formula C21H23Cl2N3O3 and molecular weight 435.11 g/mol. IUPAC: ethyl 4-[[4-[(2,4-dichlorophenyl)methyl]piperazine-1-carbonyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-({4-[(2,4-dichlorophenyl)methyl]piperazinyl}carbonylamino)benzoate
Property Insights of Ethyl 4-({4-[(2,4-dichlorophenyl)methyl]piperazinyl}carbonylamino)benzoate
The XLogP value of 4.5198 indicates that Ethyl 4-({4-[(2,4-dichlorophenyl)methyl]piperazinyl}carbonylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-({4-[(2,4-dichlorophenyl)methyl]piperazinyl}carbonylamino)benzoate. Following Lipinski's Rule of Five, Ethyl 4-({4-[(2,4-dichlorophenyl)methyl]piperazinyl}carbonylamino)benzoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-({4-[(2,4-dichlorophenyl)methyl]piperazinyl}carbonylamino)benzoate?
The CAS number of Ethyl 4-({4-[(2,4-dichlorophenyl)methyl]piperazinyl}carbonylamino)benzoate is 701952-62-7.
What is the molecular formula of Ethyl 4-({4-[(2,4-dichlorophenyl)methyl]piperazinyl}carbonylamino)benzoate?
The molecular formula of Ethyl 4-({4-[(2,4-dichlorophenyl)methyl]piperazinyl}carbonylamino)benzoate is C21H23Cl2N3O3.
What is the molecular weight of Ethyl 4-({4-[(2,4-dichlorophenyl)methyl]piperazinyl}carbonylamino)benzoate?
The molecular weight of Ethyl 4-({4-[(2,4-dichlorophenyl)methyl]piperazinyl}carbonylamino)benzoate is 435.11 g/mol.
Where can I buy Ethyl 4-({4-[(2,4-dichlorophenyl)methyl]piperazinyl}carbonylamino)benzoate?
You can request a quote for Ethyl 4-({4-[(2,4-dichlorophenyl)methyl]piperazinyl}carbonylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-({4-[(2,4-dichlorophenyl)methyl]piperazinyl}carbonylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-({4-[(2,4-dichlorophenyl)methyl]piperazinyl}carbonylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.